Vitas-M small molecule compound
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate
Catalog ID
STK143646
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OC(=O)c1ccccc1C)C1=C(O2)CC(CC1=O)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H32O5 MW 484.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32O5/c1-18-8-6-7-9-21(18)29(34)35-20-12-10-19(11-13-20)26-27-22(32)14-30(2,3)16-24(27)36-25-17-31(4,5)15-23(33)28(25)26/h6-13,26H,14-17H2,1-5H3InChIKey
XUSODRXTQMIXGH-UHFFFAOYSA-NSynonyms
(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)2methylbenzoate
4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl2methylbenzoate
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
InChI=1SC31H32O5c118867921(18)29(34)3520121019(111320)262722(32)1430(23)1624(27)36251731(45)1523(33)28(25)26h61326H1417H215H3
MFCD06067904
ZINC000013880291
ZINC13880291
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